genion
Add counter-ions to a molecular system by replacing solvent molecules, neutralizing charge or achieving a specified ion concentration.
Instructions
Add counter-ions by replacing solvent molecules.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| tpr | Yes | ||
| group | No | SOL | |
| nname | No | CL | |
| pname | No | NA | |
| output | No | ions.gro | |
| neutral | No | ||
| workdir | Yes | ||
| topology | Yes | ||
| extra_args | No | ||
| concentration | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||